4-[[4-(ethanoylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoate; piperidin-1-ium

Systemtic Name: 4-[[4-(ethanoylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoate; piperidin-1-ium Openeye Name: 4-[4-(acetylsulfamoyl)anilino]-4-oxo-butanoate; piperidin-1-ium CAS Name: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate; piperidin-1-ium IUPAC Name: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate; piperidin-1-ium Traditional Name: 4-[4-(acetylsulfamoyl)anilino]-4-keto-butyrate; piperidin-1-ium Formula: C17H25N3O6S MolecularWeight: 399.4619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C12H14N2O6S.C5H11N/c1-8(15)14-21(19,20)10-4-2-9(3-5-10)13-11(16)6-7-12(17)18;1-2-4-6-5-3-1/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18);6H,1-5H2